L397-0366 Screening compound: ethyl 1-{2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}-3-piperidinecarboxylate

L397-0366 Screening compound: ethyl 1-{2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}-3-piperidinecarboxylate
L397-0366 Screening compound: ethyl 1-{2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0366
ethyl 1-{2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}-3-piperidinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L397-0366

Molecular Formula

C21H27N5O5S (C21 H27 N5 O5 S)

Compound Name

ethyl 1-{2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}-3-piperidinecarboxylate

IUPAC name

ethyl 1-{2-[8-(2-methylpropyl)-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl]acetyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CN(C(N1c2c3scc2)=O)N=C1N(CC(C)C)C3=O)=O)=O

InChI

InChI=1S/C21H27N5O5S/c1-4-31-19(29)14-6-5-8-23(11-14)16(27)12-25-21(30)26-15-7-9-32-17(15)18(28)24(10-13(2)3)20(26)22-25/h7,9,13-14H,4-6,8,10-12H2,1-3H3/t14-/m0/s1

InChI Key

PXOBKFFHLBBADF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27251099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.50

Polar Surface Area

86.305

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

L397-0366 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Integrin Receptors Targeted library (1715 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • Others
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L397-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0366?
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What is the minimum amount of L397-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0366
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L397-0366 available by request